4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboximidamide dihydrochloride

Systemtic Name: 4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboximidamide dihydrochloride Openeye Name: 4-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepane-1-carboxamidine dihydrochloride CAS Name: 4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepane-1-carboximidamide dihydrochloride IUPAC Name: 4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboximidamide dihydrochloride Traditional Name: 4-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepane-1-carboxamidine dihydrochloride Formula: C16H23Cl2N5O2S MolecularWeight: 420.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)C(=N)N.Cl.Cl

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)C(=N)N.Cl.Cl

InChI

InChI=1S/C16H21N5O2S.2ClH/c1-12-10-19-11-13-4-2-5-14(15(12)13)24(22,23)21-7-3-6-20(8-9-21)16(17)18;;/h2,4-5,10-11H,3,6-9H2,1H3,(H3,17,18);2*1H